De novo Design

De Novo design services

Prosarix offers a structure-based or ligand-based de novo design service using a sophisticated technology called ProtoBuild. This technology has been successfully applied to a number of model systems including GPCRs, nuclear receptor hormones and various enzyme classes to identify novel inhibitors.

The software is able grow compounds into an uncomplexed receptor binding site or, in 'virtual ligand' mode, it can start with a known ligand which adapts further to the binding site via iterative deletion and additions of fragments. See our case studies.

Fragment based design

Prosarix's de novo design algorithms can utilise results from fragment-based screening exercises as the start points for the de novo growth process.

Key aspects or this service include:

The execution of short (e.g. 1 week - 3 month) projects or longer term arrangements;

Resultant IP under these projects remain with the client, with no royalty requirements;

Prosarix can manage compound procurement and 3rd party assays on behalf of the client;

Through existing 3rd party contacts, Prosarix can manage and direct synthetic chemistry.